4-(2-carboxyethyl)-3-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid

Systemtic Name: 4-(2-carboxyethyl)-3-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid Openeye Name: 4-(2-carboxyethyl)-3-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid CAS Name: 4-(2-carboxyethyl)-3-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid IUPAC Name: 4-(2-carboxyethyl)-3-ethoxycarbonyl-1H-pyrrole-2-carboxylic acid Traditional Name: 3-carbethoxy-4-(2-carboxyethyl)-1H-pyrrole-2-carboxylic acid Formula: C11H13NO6 MolecularWeight: 255.22402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC=C1CCC(=O)O)C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(NC=C1CCC(=O)O)C(=O)O

InChI

InChI=1S/C11H13NO6/c1-2-18-11(17)8-6(3-4-7(13)14)5-12-9(8)10(15)16/h5,12H,2-4H2,1H3,(H,13,14)(H,15,16)